HRID1210722

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：COC(=O)C1CC(C(=O)OC(C)(C)C)N(C(=O)C(Cc2ccccc2)NC(=S)Nc2ccccc2)C1c1ccccc1F

HCID178498310

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CC(C(=O)OC(C)(C)C)NC1c1ccccc1F

HCID67656797

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cee2b52551304632a5218ced167eb3f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Cl:49][CH2:50][Cl:51].[F:1][c:2]1[c:3]([CH:8]2[CH:9]([C:40](=[O:41])[O:42][CH3:43])[CH2:10][CH:11]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[N:12]2[C:13](=[O:14])[CH:15]([NH:16][C:17]([NH:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)=[S:25])[CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:4][cH:5][cH:6][cH:7]1.[Na+:44].[OH:45][C:46](=[O:47])[O-:48].[OH:52][C:53]([C:54]([F:55])([F:56])[F:57])=[O:58]>>[F:1][c:2]1[c:3]([CH:8]2[CH:9]([C:40](=[O:41])[O:42][CH3:43])[CH2:10][CH:11]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[NH:12]2)[cH:4][cH:5][cH:6][cH:7]1